N-(1,3-benzodioxol-5-yl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide

C23H23N3O5 — CID 7162288

IUPACN-(1,3-benzodioxol-5-yl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide
SMILESCCN(CC)C(=O)Cn1cc(C(=O)C(=O)Nc2ccc3c(c2)OCO3)c2ccccc21
InChIInChI=1S/C23H23N3O5/c1-3-25(4-2)21(27)13-26-12-17(16-7-5-6-8-18(16)26)22(28)23(29)24-15-9-10-19-20(11-15)31-14-30-19/h5-12H,3-4,13-14H2,1-2H3,(H,24,29)
InChIKeyTWWBMACVBQUAHD-UHFFFAOYSA-N
MW421.45 g/mol
LogP3.06
Rot. Bonds7

About N-(1,3-benzodioxol-5-yl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide

N-(1,3-benzodioxol-5-yl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide (PubChem CID 7162288) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide
PubChem CID7162288
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide
SMILESCCN(CC)C(=O)Cn1cc(C(=O)C(=O)Nc2ccc3c(c2)OCO3)c2ccccc21
InChIInChI=1S/C23H23N3O5/c1-3-25(4-2)21(27)13-26-12-17(16-7-5-6-8-18(16)26)22(28)23(29)24-15-9-10-19-20(11-15)31-14-30-19/h5-12H,3-4,13-14H2,1-2H3,(H,24,29)
InChIKeyTWWBMACVBQUAHD-UHFFFAOYSA-N
XLogP3.06
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide (CID 7162288) is N-(1,3-benzodioxol-5-yl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide is CCN(CC)C(=O)Cn1cc(C(=O)C(=O)Nc2ccc3c(c2)OCO3)c2ccccc21.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide?
The InChIKey is TWWBMACVBQUAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-3-25(4-2)21(27)13-26-12-17(16-7-5-6-8-18(16)26)22(28)23(29)24-15-9-10-19-20(11-15)31-14-30-19/h5-12H,3-4,13-14H2,1-2H3,(H,24,29).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide?
N-(1,3-benzodioxol-5-yl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide has a molecular weight of 421.45 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 7162288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).